SCHEMBL5744838

SCHEMBL5744838

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@@H](CSSCC(N)C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.36
NOS2 P35228 3/20 0.34
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
SLC7A5 Q01650 1/20 0.34
CYP2C19 P33261 1/20 0.32
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
SLC1A3 P43003 1/20 0.31
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
GRIK1 P39086 2/20 0.30
GRIK2 Q13002 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28428983 0.84 KIF11 (0.34) KIF11
SCHEMBL11194156 0.82 HDAC6 (0.30)
SCHEMBL111218 0.78 NOS2 (0.42) KIF11NOS2NOS1NOS3SLC7A5
SCHEMBL7773882 0.78 NOS2 (0.42) KIF11NOS2NOS1NOS3SLC7A5
SCHEMBL111220 0.78 NOS2 (0.42) KIF11NOS2NOS1NOS3SLC7A5
SCHEMBL111219 0.78 NOS2 (0.42) KIF11NOS2NOS1NOS3SLC7A5
SCHEMBL8975399 0.78 KIF11 (0.41) KIF11NOS2NOS1NOS3SLC7A5
SCHEMBL16798263 0.78 KIF11 (0.41) KIF11NOS2NOS1NOS3SLC7A5
SCHEMBL15201168 0.78 KIF11 (0.41) KIF11NOS2NOS1NOS3SLC7A5
SCHEMBL9433207 0.77 ARG1 (0.38) KIF11NOS2NOS1NOS3SLC7A5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633729-A1 SULPHONAMIDE COMPOUNDS THAT MODULATE CHEMOKINE RECEPTOR ACTIVITY (CCR4) AstraZeneca AB (SE) 2006-03-15 EP disclosed
WO-2004108692-A1 SULPHONAMIDE COMPOUNDS THAT MODULATE CHEMOKINE RECEPTOR ACTIVITY (CCR4) ASTRAZENECA AB (SE) 2004-12-16 WO disclosed
EP-0764149-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-03-26 EP disclosed
WO-1995034535-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1995-12-21 WO disclosed
EP-0254655-B1 ASSOCIATED SYNTHESIS COMPOUNDS FROM SULFURIZED OR NON-SULFURIZED AMINO ACIDS WITH PREGNANE DERIVATIVES, THEIR PREPARATION AND THEIR USE Université Louis Pasteur de Strasbourg Etablissement public à caractère scientifique et culturel (FR) 1993-04-21 EP disclosed
EP-0254655-A1 Associated synthesis compounds from sulfurized or non-sulfurized amino acids with pregnane derivatives, their preparation and their use Université Louis Pasteur de Strasbourg Etablissement public à caractère scientifique et culturel (FR) 1988-01-27 EP disclosed
WO-1988000202-A1 COMPOUNDS OBTAINED FROM THE ASSOCIATIVE SYNTHESIS OF SULFUR-CONTAINING OR SULFUR-FREE AMINO ACIDS WITH PREGNANE DERIVATIVES UNIVERSITE LOUIS PASTEUR DE STRASBOURG (FR) 1988-01-14 WO disclosed
US-4401658-A VACCINE ADJUVANTS, IMMUNOSTIMULANTS RHONE-POULENC SANTE (FR) 1983-08-30 US disclosed
US-4111924-A REACTION WITH MERCURIC ACETATE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-09-05 US disclosed